ChemSpider 2D Image | 4-Chloro-6-{[4-(methylsulfonyl)phenyl]sulfanyl}-5-nitropyrimidine | C11H8ClN3O4S2

4-Chloro-6-{[4-(methylsulfonyl)phenyl]sulfanyl}-5-nitropyrimidine

  • Molecular FormulaC11H8ClN3O4S2
  • Average mass345.782 Da
  • Monoisotopic mass344.964478 Da
  • ChemSpider ID40334958

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Chlor-6-{[4-(methylsulfonyl)phenyl]sulfanyl}-5-nitropyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-{[4-(methylsulfonyl)phenyl]sulfanyl}-5-nitropyrimidine [ACD/IUPAC Name]
4-Chloro-6-{[4-(méthylsulfonyl)phényl]sulfanyl}-5-nitropyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-chloro-6-[[4-(methylsulfonyl)phenyl]thio]-5-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 572.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 300.2±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.53
ACD/KOC (pH 5.5): 292.07
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.53
ACD/KOC (pH 7.4): 292.07
Polar Surface Area: 139 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 208.3±5.0 cm3

Click to predict properties on the Chemicalize site


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